V004-4393 Screening compound: 4-(4-fluorophenyl)-1-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V004-4393 Screening compound: 4-(4-fluorophenyl)-1-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V004-4393 Screening compound: 4-(4-fluorophenyl)-1-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4393
4-(4-fluorophenyl)-1-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V004-4393

Molecular Formula

C26H25F4N5O3 (C26 H25 F4 N5 O3)

Compound Name

4-(4-fluorophenyl)-1-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(4-fluorophenyl)-1-methyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1CC(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)=C(C(c(cc2)ccc2F)N2)C1=O)C2=O

InChI

InChI=1S/C26H25F4N5O3/c1-32-20-14-35(24(37)22(20)23(31-25(32)38)16-5-7-18(27)8-6-16)15-21(36)34-11-9-33(10-12-34)19-4-2-3-17(13-19)26(28,29)30/h2-8,13,23H,9-12,14-15H2,1H3,(H,31,38)/t23-/m1/s1

InChI Key

UIYPTRUTGSLHPK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19936431

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-3.03

Polar Surface Area

64.155

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V004-4393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-4393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4393?
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What is the minimum amount of V004-4393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4393
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V004-4393 available by request